%chk=000076472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076472

0 1
 O   -5.349400      0.3457000      0.4198000    
 O    5.363000     -0.3595000     -0.3609000    
 O   -4.826700      -1.320000      -1.072600    
 O    4.798500       1.350200       1.065000    
 N   -3.507000     -0.8953000      0.7891000    
 N    3.537100      0.8747000     -0.8246000    
 C  -0.5980000     -0.2382000      0.4014000    
 C   0.5630000      0.2467000     -0.4704000    
 C   -1.336000      -1.406600     -0.2610000    
 C    1.334900       1.422000      0.1405000    
 C   -2.508700      -1.907000      0.5766000    
 C    2.536000       1.894100     -0.6736000    
 C   -4.584500     -0.6838000     -5.2200001E-02
 C    4.586900      0.6850000      5.6299999E-02
 C   -6.505100      0.6733000     -0.3597000    
 C    6.492100     -0.6671000      0.4643000    
 C   -7.233500       1.825500      0.2988000    
 C    7.237400      -1.839700     -0.1368000    
 H  -0.2172000     -0.5510000       1.381000    
 H   -1.286300      0.5976000      0.5724000    
 H    1.248900     -0.5921000     -0.6396000    
 H   0.1807000      0.5461000      -1.454200    
 H  -0.6369000      -2.235900     -0.4227000    
 H   -1.698800      -1.093800      -1.248000    
 H   0.6476000       2.267200      0.2693000    
 H    1.673800       1.137000       1.144700    
 H   -2.161900      -2.236000       1.561900    
 H   -2.973200      -2.765700      7.9599999E-02
 H    2.219700       2.192900      -1.678400    
 H    2.987700       2.766400     -0.1886000    
 H   -3.417100     -0.2961000       1.604100    
 H    3.469900      0.2511000      -1.623400    
 H   -6.193900      0.9611000      -1.370200    
 H   -7.166200     -0.1986000     -0.4164000    
 H    7.153900      0.2046000      0.5167000    
 H    6.148000     -0.9244000       1.472200    
 H   -7.534900       1.559300       1.317200    
 H   -6.578900       2.699600      0.3793000    
 H   -8.124100       2.102700     -0.2721000    
 H    6.582700      -2.714200     -0.2128000    
 H    7.571900      -1.604000      -1.152400    
 H    8.108400      -2.102100      0.4702000    


%chk=000076472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076472

0 1
O -5.468582 0.378302 0.432522
O 5.468457 -0.380936 -0.425909
O -4.869478 -1.350318 -1.064219
O 4.866003 1.346813 1.070521
N -3.618560 -0.871903 0.868919
N 3.620789 0.871152 -0.866921
C -0.589812 -0.241174 0.435551
C 0.591365 0.242376 -0.435713
C -1.394403 -1.383974 -0.221123
C 1.395927 1.385361 0.220547
C -2.580281 -1.889024 0.635344
C 2.582644 1.888946 -0.635530
C -4.655193 -0.684700 -0.016795
C 4.654688 0.682512 0.021656
C -6.650798 0.670431 -0.423956
C 6.647475 -0.675123 0.434278
C -7.378901 1.845583 0.222238
C 7.378172 -1.848495 -0.212214
H -0.200764 -0.578657 1.419713
H -1.264644 0.616070 0.638058
H 1.266292 -0.614857 -0.638073
H 0.202299 0.579494 -1.420024
H -0.722171 -2.245121 -0.415255
H -1.784904 -1.057455 -1.204718
H 0.724024 2.247045 0.413541
H 1.785574 1.059633 1.204764
H -2.215668 -2.238281 1.620339
H -3.062465 -2.742807 0.127281
H 2.219097 2.236894 -1.621364
H 3.064481 2.743353 -0.128161
H -3.561537 -0.243299 1.669879
H 3.565865 0.243533 -1.668791
H -6.299096 0.903992 -1.445529
H -7.281476 -0.235747 -0.478068
H 7.277775 0.231004 0.493229
H 6.291899 -0.911474 1.453878
H -7.707349 1.591425 1.244758
H -6.724452 2.732604 0.277167
H -8.271340 2.107728 -0.375049
H 6.723887 -2.735301 -0.272341
H 7.710850 -1.591487 -1.232649
H 8.268110 -2.112419 0.388016


